1072-43-1

硫化丙烯(1072-43-1)Raman光谱

产品名称:硫化丙烯

CAS:1072-43-1

分子式:C3H6S

分子量: 74.14

InChI:InChI=1S/C3H6S/c1-3-2-4-3/h3H,2H2,1H3

InChIKey: MBNVSWHUJDDZRH-UHFFFAOYSA-N

Smiles:S1CC1C

90 MHz in CDCl3

400 MHz in CDCl3

parameter in CCl4

¹H NMR	89.56 MHz
C₃ H₆ S	0.04 ml : 0.5 ml CDCl₃
1,2-epithiopropane

    Assign.     Shift(ppm)

      A             2.90
      B             2.497
      C             2.107
      D             1.512

     Hz     ppm     Int.

    269.75   3.012     80
    264.00   2.948    154
    258.31   2.885    156
    257.75   2.878    169
    254.63   2.844     31
    253.88   2.835     38
    252.13   2.816    130
    246.56   2.754     48
    226.81   2.533    224
    225.94   2.523    226
    222.88   2.489     35
    220.63   2.464    161
    219.69   2.453    174
    191.81   2.142    194
    191.06   2.134    184
    186.13   2.079    174
    185.50   2.072    160
    138.13   1.543   1000
    135.25   1.511     87
    133.94   1.496    145
    132.38   1.479    904

¹H NMR	399.65 MHz
C₃ H₆ S	0.05 ml : 0.5 ml CDCl₃
1,2-epithiopropane

    Assign.     Shift(ppm)

      A             2.912
      B             2.500
      C             2.114
      D             1.511
     
     J(A,D)=5.6HZ. J(A,C)=5.6HZ. J(B,C)=0.8HZ. J(A,B)=6.4HZ.

     Hz     ppm     Int.

   1178.71   2.950     43
   1172.97   2.935    154
   1167.24   2.921    265
   1161.38   2.906    261
   1155.27   2.891    164
   1149.54   2.877     50
   1002.44   2.509    283
   1001.59   2.507    307
    996.22   2.493    265
    995.24   2.491    292
    848.14   2.123    264
    847.17   2.120    276
    842.53   2.109    250
    842.16   2.108    255
    841.55   2.106    270
    619.51   1.551     49
    613.77   1.536     64
    606.81   1.519   1000
    603.52   1.511     91
    601.07   1.504   1000
    594.24   1.487     34

¹H NMR	300 MHz
C₃ H₆ S	in CCl₄
1,2-epithiopropane

    Parameter     ppm  Hz

      D(A)         2.79
      D(B)         2.40
      D(C)         2.01
       J(A,B)          6.22
       J(A,C)          5.40
       J(B,C)         -0.86
     
      D(D)         1.50
     
     OHTSUKA,M. ET AL. TETRAHEDRON LETT. 33, 2877 (1970)

     Hz     ppm     Int.

    842.92   2.810     78
    837.50   2.792     97
    836.74   2.789    101
    831.32   2.771     91
    723.44   2.411    102
    722.63   2.409    103
    717.22   2.391     92
    716.40   2.388     93
    606.09   2.020    101
    605.27   2.018    100
    600.68   2.002     96
    599.86   2.000     95
    450.00   1.500   1000

in CDCl3